2-[2-(4-chlorophenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]butyric acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-2-10(12(16)17)14-11(15)7-18-9-5-3-8(13)4-6-9/h3-6,10H,2,7H2,1H3,(H,14,15)(H,16,17)